Structure Information
Structure

Compound Identification

SMILES

CC1=NN(C(=O)\C1=N/NC1=CC(=C(C)C=C1)[N+]([O-])=O)C1=NC(=CS1)C1=CC=CC=C1

InChIKey

InChIKey=ORCUAQQCJFNNGJ-NKFKGCMQSA-N

Formula

C20H16N6O3S

Mass

420.45

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Phenylhydrazine - 2,4-disubstituted 1,3-thiazole - Toluene - Pyrazolinone - Azole - Pyrazoline - Heteroaromatic compound - Thiazole - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid derivative - Hydrazone - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic salt - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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